SCHEMBL30837822

SCHEMBL30837822

COc1cccc(Cn2c(=O)c3cc(OC(CF)CF)ccc3n(C3CCN(C=O)CC3)c2=O)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.80
PDE7B Q9NP56 5/20 0.80
PDE8A O60658 3/20 0.80
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
OPRM1 P35372 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
PLA2G2A P14555 1/20 0.41
GNRHR P30968 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PRKDC P78527 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL100744 1.00 PDE7A (0.80) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL99881 0.93 PDE7A (0.81) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL30837835 0.92 PDE7A (0.73) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL100149 0.92 PDE7A (0.73) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL30837782 0.92 PDE7A (0.83) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL100958 0.92 PDE7A (0.73) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL100231 0.92 PDE7A (0.83) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL100125 0.92 PDE7A (0.85) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL100141 0.91 PDE7A (0.71) PDE7APDE7BPDE8AOPRM1
SCHEMBL99901 0.91 PDE7A (0.71) PDE7APDE7BPDE8ACYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4572765-A1 USE OF A THERAPEUTIC AGENT WITH PHOSPHODIESTERASE-7 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE Mitodicure GmbH (DE) 2025-06-25 EP disclosed
WO-2024038089-A1 USE OF A THERAPEUTIC AGENT WITH PHOSPHODIESTERASE-7 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE MITODICURE GMBH (DE) 2024-02-22 WO disclosed